(6R)-4-(2,6-dimethoxypyridine-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one

C18H26N4O4 — CID 97203552

IUPAC(6R)-4-(2,6-dimethoxypyridine-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCOc1ccc(C(=O)N2CCN(C)[C@]3(CCNC(=O)CC3)C2)c(OC)n1
InChIInChI=1S/C18H26N4O4/c1-21-10-11-22(12-18(21)7-6-14(23)19-9-8-18)17(24)13-4-5-15(25-2)20-16(13)26-3/h4-5H,6-12H2,1-3H3,(H,19,23)/t18-/m1/s1
InChIKeyQSPWSWZIFKGHPT-GOSISDBHSA-N
MW362.43 g/mol
LogP0.53
Rot. Bonds3

About (6R)-4-(2,6-dimethoxypyridine-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one

(6R)-4-(2,6-dimethoxypyridine-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 97203552) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is (6R)-4-(2,6-dimethoxypyridine-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6R)-4-(2,6-dimethoxypyridine-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID97203552
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name(6R)-4-(2,6-dimethoxypyridine-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCOc1ccc(C(=O)N2CCN(C)[C@]3(CCNC(=O)CC3)C2)c(OC)n1
InChIInChI=1S/C18H26N4O4/c1-21-10-11-22(12-18(21)7-6-14(23)19-9-8-18)17(24)13-4-5-15(25-2)20-16(13)26-3/h4-5H,6-12H2,1-3H3,(H,19,23)/t18-/m1/s1
InChIKeyQSPWSWZIFKGHPT-GOSISDBHSA-N
XLogP0.53
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6R)-4-(2,6-dimethoxypyridine-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6R)-4-(2,6-dimethoxypyridine-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97203552) is (6R)-4-(2,6-dimethoxypyridine-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6R)-4-(2,6-dimethoxypyridine-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6R)-4-(2,6-dimethoxypyridine-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is COc1ccc(C(=O)N2CCN(C)[C@]3(CCNC(=O)CC3)C2)c(OC)n1.
What is the InChIKey of (6R)-4-(2,6-dimethoxypyridine-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is QSPWSWZIFKGHPT-GOSISDBHSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-21-10-11-22(12-18(21)7-6-14(23)19-9-8-18)17(24)13-4-5-15(25-2)20-16(13)26-3/h4-5H,6-12H2,1-3H3,(H,19,23)/t18-/m1/s1.
What are the key properties of (6R)-4-(2,6-dimethoxypyridine-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6R)-4-(2,6-dimethoxypyridine-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 362.43 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-(2,6-dimethoxypyridine-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 97203552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).